Zobrazeno 1 - 10
of 229
pro vyhledávání: '"Dugdale S"'
For more than three decades, clear discrepancies have existed between spin densities in momentum space revealed by Magnetic Compton scattering experiments and theoretical calculations based on density functional theory (DFT). Here by making a wide co
Externí odkaz:
http://arxiv.org/abs/2402.00799
The Fermi surface topology plays an important role in the macroscopic properties of metals. It can be particularly sensitive to electron correlation, which appears to be especially significant for the weak itinerant ferromagnet ZrZn$_{2}$. Here, we l
Externí odkaz:
http://arxiv.org/abs/2208.10899
Using the combined Density Functional and Dynamical Mean Field theory we study relativistic corrections to the Fermi surface of palladium. We find indeed that relativistic corrections create a small hole pockets at the $L$-symmetry points. Furthermor
Externí odkaz:
http://arxiv.org/abs/2110.13514
Publikováno v:
Phys. Rev. B 103, 235144 (2021)
The Group V and VI transition metals share a common Fermi surface feature of hole ellipsoids at the N point in the Brillouin zone. In clear contrast to the other Fermi surface sheets, which are purely of d character, these arise from a band that has
Externí odkaz:
http://arxiv.org/abs/2103.02532
Publikováno v:
Phys. Rev. B 103, 115144 (2021)
We calculated the magnetic Compton profiles (MCPs) of Ni using density functional theory supplemented by electronic correlations treated within dynamical mean-field theory (DMFT). We present comparisons between the theoretical and experimental MCPs.
Externí odkaz:
http://arxiv.org/abs/2012.08812
Publikováno v:
Phys. Rev. B 103, 035106 (2021)
Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron exchange-correlation interactions that are missing in current density functional theory (DFT) calculations. However, there has been relatively
Externí odkaz:
http://arxiv.org/abs/2010.04694
Autor:
Billington, D., James, A. D. N., Harris-Lee, E. I., Lagos, D. A., ONeill, D., Tsuda, N., Toyoki, K., Kotani, Y., Nakamura, T., Bei, H., Mu, S., Samolyuk, G. D., Stocks, G. M., Duffy, J. A., Taylor, J. W., Giblin, S. R., Dugdale, S. B.
Publikováno v:
Phys. Rev. B 102, 174405 (2020)
Magnetic Compton scattering, x-ray magnetic circular dichroism spectroscopy and bulk magnetometry measurements are performed on a set of medium (NiFeCo and NiFeCoCr) and high (NiFeCoCrPd and NiFeCoCrMn) entropy Cantor-Wu alloys. The bulk spin momentu
Externí odkaz:
http://arxiv.org/abs/2008.05796
Autor:
Butchers, M. W., Duffy, J. A., Taylor, J. W., Giblin, S. R., Dugdale, S. B., Stock, C., Tobash, P. H., Bauer, E. D., Paulsen, C.
Publikováno v:
Phys. Rev. B 92, 121107(R), 2015
The magnetism in the ferromagnetic superconductor UCoGe has been studied using a combination of magnetic Compton scattering, bulk magnetization, X-ray magnetic circular dichroism and electronic structure calculations, in order to determine the spin a
Externí odkaz:
http://arxiv.org/abs/1511.08106
Autor:
Ernsting, D., Billington, D., Haynes, T. D ., Millichamp, T. E ., Taylor, J. W ., Duffy, J. A., Giblin, S. R., Dewhurst, J. K., Dugdale, S. B.
Publikováno v:
J. Phys.: Condens. Matter 26 495501 (2014)
A method for computing electron momentum densities and Compton profiles from ab initio calculations is presented. Reciprocal space is divided into optimally-shaped tetrahedra for interpolation, and the linear tetrahedron method is used to obtain the
Externí odkaz:
http://arxiv.org/abs/1411.3702
Autor:
Mansart, B., Cottet, M. J. G., Mancini, G. F., Jarlborg, T., Dugdale, S. B., Johnson, S. L., Mariager, S. O., Milne, C. J., Beaud, P., Grübel, S., Johnson, J. A., Kubacka, T., Ingold, G., Prsa, K., Rønnow, H. M., Conder, K., Pomjakushina, E., Chergui, M., Carbone, F.
Publikováno v:
Physical Review B 88, 054507 (2013)
The strength of the electron-phonon coupling parameter and its evolution throughout a solid's phase diagram often determines phenomena such as superconductivity, charge- and spin-density waves. Its experimental determination relies on the ability to
Externí odkaz:
http://arxiv.org/abs/1401.4072